4-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine

C27H21FN8O — CID 136507019

IUPAC4-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine
SMILESFc1cccc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6cncc(N7CCOCC7)c6)cc45)nc23)c1
InChIInChI=1S/C27H21FN8O/c28-19-3-1-2-16(8-19)22-14-30-15-23-24(22)33-27(32-23)25-21-10-18(12-31-26(21)35-34-25)17-9-20(13-29-11-17)36-4-6-37-7-5-36/h1-3,8-15H,4-7H2,(H,32,33)(H,31,34,35)
InChIKeyBHNZVNSOCCTWIW-UHFFFAOYSA-N
MW492.52 g/mol
LogP4.60
Rot. Bonds4

About 4-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine

4-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine (PubChem CID 136507019) has the molecular formula C27H21FN8O and a molecular weight of 492.52 g/mol. Its IUPAC name is 4-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine
PubChem CID136507019
Molecular FormulaC27H21FN8O
Molecular Weight492.52 g/mol
Exact Mass492.18
IUPAC Name4-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine
SMILESFc1cccc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6cncc(N7CCOCC7)c6)cc45)nc23)c1
InChIInChI=1S/C27H21FN8O/c28-19-3-1-2-16(8-19)22-14-30-15-23-24(22)33-27(32-23)25-21-10-18(12-31-26(21)35-34-25)17-9-20(13-29-11-17)36-4-6-37-7-5-36/h1-3,8-15H,4-7H2,(H,32,33)(H,31,34,35)
InChIKeyBHNZVNSOCCTWIW-UHFFFAOYSA-N
XLogP4.60
TPSA108.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.52
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine?
The IUPAC name of 4-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine (CID 136507019) is 4-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine?
The canonical SMILES for 4-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine is Fc1cccc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6cncc(N7CCOCC7)c6)cc45)nc23)c1.
What is the InChIKey of 4-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine?
The InChIKey is BHNZVNSOCCTWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN8O/c28-19-3-1-2-16(8-19)22-14-30-15-23-24(22)33-27(32-23)25-21-10-18(12-31-26(21)35-34-25)17-9-20(13-29-11-17)36-4-6-37-7-5-36/h1-3,8-15H,4-7H2,(H,32,33)(H,31,34,35).
What are the key properties of 4-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine?
4-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine has a molecular weight of 492.52 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine is sourced from PubChem (CID 136507019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).